2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole

C15H15ClF3N3S — CID 1480036

IUPAC2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(N2CCN(Cc3cnc(Cl)s3)CC2)c1
InChIInChI=1S/C15H15ClF3N3S/c16-14-20-9-13(23-14)10-21-4-6-22(7-5-21)12-3-1-2-11(8-12)15(17,18)19/h1-3,8-9H,4-7,10H2
InChIKeyNYWPCTLDEZGCGQ-UHFFFAOYSA-N
MW361.82 g/mol
LogP4.14
Rot. Bonds3

About 2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole

2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 1480036) has the molecular formula C15H15ClF3N3S and a molecular weight of 361.82 g/mol. Its IUPAC name is 2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID1480036
Molecular FormulaC15H15ClF3N3S
Molecular Weight361.82 g/mol
Exact Mass361.06
IUPAC Name2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(N2CCN(Cc3cnc(Cl)s3)CC2)c1
InChIInChI=1S/C15H15ClF3N3S/c16-14-20-9-13(23-14)10-21-4-6-22(7-5-21)12-3-1-2-11(8-12)15(17,18)19/h1-3,8-9H,4-7,10H2
InChIKeyNYWPCTLDEZGCGQ-UHFFFAOYSA-N
XLogP4.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.82
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole (CID 1480036) is 2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole is FC(F)(F)c1cccc(N2CCN(Cc3cnc(Cl)s3)CC2)c1.
What is the InChIKey of 2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is NYWPCTLDEZGCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3S/c16-14-20-9-13(23-14)10-21-4-6-22(7-5-21)12-3-1-2-11(8-12)15(17,18)19/h1-3,8-9H,4-7,10H2.
What are the key properties of 2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 361.82 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 1480036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).